CID 71594594

1-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-phenyl-thiourea

Structural Information

Molecular Formula
C17H17N5OS
SMILES
CC1=CC=CN2C1=NC(=C2C(=O)NNC(=S)NC3=CC=CC=C3)C
InChI
InChI=1S/C17H17N5OS/c1-11-7-6-10-22-14(12(2)18-15(11)22)16(23)20-21-17(24)19-13-8-4-3-5-9-13/h3-10H,1-2H3,(H,20,23)(H2,19,21,24)
InChIKey
FGZUSHQXYGHAOC-UHFFFAOYSA-N
Compound name
1-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1154 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.12268 177.7
[M+Na]+ 362.10462 186.1
[M-H]- 338.10812 183.8
[M+NH4]+ 357.14922 191.5
[M+K]+ 378.07856 180.1
[M+H-H2O]+ 322.11266 169.2
[M+HCOO]- 384.11360 197.1
[M+CH3COO]- 398.12925 188.3
[M+Na-2H]- 360.09007 181.1
[M]+ 339.11485 180.1
[M]- 339.11595 180.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.